General Information of the Compound
| Compound ID |
CP0437985
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| Compound Name |
2-[5-[5-[3-(2-bromo-5-fluorophenoxy)propoxy]-1,3,4-thiadiazol-2-yl]tetrazol-2-yl]acetic acid
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| Structure |
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| Formula |
C14H12BrFN6O4S
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| Molecular Weight |
459.257
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| Canonical SMILES |
OC(=O)Cn1nnc(n1)-c1nnc(OCCCOc2cc(F)ccc2Br)s1
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| InChI |
InChI=1S/C14H12BrFN6O4S/c15-9-3-2-8(16)6-10(9)25-4-1-5-26-14-19-18-13(27-14)12-17-21-22(20-12)7-11(23)24/h2-3,6H,1,4-5,7H2,(H,23,24)
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| InChIKey |
SDIPUBGRBALQOW-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound